Geometry & MOs

Info

ID:	325649
PubChem CID:	126684331
Reduced:	NSF2H11C21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	475.190734
ΔH_f, kcal/mol:	67.16
Dipole, Da:	7.51
IP(EA), eV:	-9.37(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-acetamido-2-methyl-1-oxopropan-2-yl)-9-fluoro-5H-chromeno[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C(=C3)F)SC#N)F

DOS

IR

Vibrations